5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine

C18H28N2O — CID 104766324

IUPAC5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine
SMILESCOC(C)(C)CN1CC(C2CC2)NCC1c1ccccc1
InChIInChI=1S/C18H28N2O/c1-18(2,21-3)13-20-12-16(14-9-10-14)19-11-17(20)15-7-5-4-6-8-15/h4-8,14,16-17,19H,9-13H2,1-3H3
InChIKeyFRDHJYFVKAHCOA-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.84
Rot. Bonds5

About 5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine

5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine (PubChem CID 104766324) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine
PubChem CID104766324
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine
SMILESCOC(C)(C)CN1CC(C2CC2)NCC1c1ccccc1
InChIInChI=1S/C18H28N2O/c1-18(2,21-3)13-20-12-16(14-9-10-14)19-11-17(20)15-7-5-4-6-8-15/h4-8,14,16-17,19H,9-13H2,1-3H3
InChIKeyFRDHJYFVKAHCOA-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-2-methylpropyl)-2-phenyl-5-propylpiperazine
CID 104766308
5-cyclopropyl-2-phenyl-1-propylpiperazine
CID 64860711
5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine
CID 64946388
5-cyclopropyl-1-(cyclopropylmethyl)-2-phenylpiperazine
CID 64860134
5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine
CID 116645559
5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine
CID 104830214
5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine
CID 64941267
5-cyclopropyl-1-(2,2-dimethylcyclopropyl)-2-phenylpiperazine
CID 64945602
5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine
CID 64934608
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5-cyclopropylpiperazine
CID 64862053
5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine
CID 64936178
1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine
CID 64846136

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine (CID 104766324) is 5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine is COC(C)(C)CN1CC(C2CC2)NCC1c1ccccc1.
What is the InChIKey of 5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine?
The InChIKey is FRDHJYFVKAHCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,21-3)13-20-12-16(14-9-10-14)19-11-17(20)15-7-5-4-6-8-15/h4-8,14,16-17,19H,9-13H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine?
5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine has a molecular weight of 288.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine is sourced from PubChem (CID 104766324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).